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| CAS No.: | 20090-69-1 |
|---|---|
| Name: | 5-Pyrimidinamine, 2-chloro-4-methyl- (9CI) |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H6ClN3 |
| Molecular Weight: | 143.576 |
| Synonyms: | Pyrimidine,5-amino-2-chloro-4-methyl- (8CI);2-Chloro-4-methylpyrimidin-5-amine;NSC243816; |
| Density: | 1.349 g/cm3 |
| Melting Point: | 93.5℃ |
| Boiling Point: | 309.4 °C at 760 mmHg |
| Flash Point: | 140.9 °C |
| PSA: | 51.80000 |
| LogP: | 1.60180 |
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Specification
The 5-Pyrimidinamine,2-chloro-4-methyl-, with the CAS registry number 20090-69-1, is also known as 5-Amino-2-chloro-4-methylpyrimidine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H6ClN3 and molecular weight is 143.57424. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-4-methylpyrimidin-5-amine.
Physical properties about 5-Pyrimidinamine,2-chloro-4-methyl- are: (1) ACD/LogP: -0.46; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 29.02 Å2; (7) Index of Refraction: 1.599; (8) Molar Refractivity: 36.39 cm3; (9) Molar Volume: 106.3 cm3; (10) Surface Tension: 59 dyne/cm; (11) Density: 1.349 g/cm3; (12) Flash Point: 140.9 °C; (13) Enthalpy of Vaporization: 55.02 kJ/mol; (14) Boiling Point: 309.4 °C at 760 mmHg; (15) Vapour Pressure: 0.00064 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc(c(N)cn1)C
(2) InChI: InChI=1/C5H6ClN3/c1-3-4(7)2-8-5(6)9-3/h2H,7H2,1H3
(3) InChIKey: RZAKVHVZRSQZEQ-UHFFFAOYAR